N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine

C19H41N3O — CID 144855148

IUPACN'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine
SMILESC=C(C)N1CCOCC1.C=C(NCCN)C(C)(C)C.CC(C)C
InChIInChI=1S/C8H18N2.C7H13NO.C4H10/c1-7(8(2,3)4)10-6-5-9;1-7(2)8-3-5-9-6-4-8;1-4(2)3/h10H,1,5-6,9H2,2-4H3;1,3-6H2,2H3;4H,1-3H3
InChIKeyBMZBYIXZWPZSCT-UHFFFAOYSA-N
MW327.56 g/mol
LogP3.61
Rot. Bonds4

About N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine

N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine (PubChem CID 144855148) has the molecular formula C19H41N3O and a molecular weight of 327.56 g/mol. Its IUPAC name is N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine.

Molecular Properties

Compound NameN'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine
PubChem CID144855148
Molecular FormulaC19H41N3O
Molecular Weight327.56 g/mol
Exact Mass327.32
IUPAC NameN'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine
SMILESC=C(C)N1CCOCC1.C=C(NCCN)C(C)(C)C.CC(C)C
InChIInChI=1S/C8H18N2.C7H13NO.C4H10/c1-7(8(2,3)4)10-6-5-9;1-7(2)8-3-5-9-6-4-8;1-4(2)3/h10H,1,5-6,9H2,2-4H3;1,3-6H2,2H3;4H,1-3H3
InChIKeyBMZBYIXZWPZSCT-UHFFFAOYSA-N
XLogP3.61
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)prop-1-en-2-amine
CID 90245659
(Z)-N-but-1-en-2-yl-3-methyl-2-morpholin-4-ylbut-1-en-1-amine
CID 126584067
ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen
CID 142390438
N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
CID 142615767
N-[[(2R)-4-butylmorpholin-2-yl]methyl]-3-methylbut-1-en-2-amine
CID 153390617
3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine
CID 155751028
ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
CID 156795064
N,3-dimethylbut-1-en-2-amine;4-(4-methylpent-2-ynyl)morpholine
CID 156795148
dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)
CID 156795287
2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine
CID 156795387
4-[3-(6-Propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine
CID 166688771
(Z)-N-methyl-1-morpholin-4-ylbut-1-en-2-amine
CID 173496060

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine?
The IUPAC name of N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine (CID 144855148) is N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine.
What is the SMILES notation for N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine?
The canonical SMILES for N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine is C=C(C)N1CCOCC1.C=C(NCCN)C(C)(C)C.CC(C)C.
What is the InChIKey of N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine?
The InChIKey is BMZBYIXZWPZSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C7H13NO.C4H10/c1-7(8(2,3)4)10-6-5-9;1-7(2)8-3-5-9-6-4-8;1-4(2)3/h10H,1,5-6,9H2,2-4H3;1,3-6H2,2H3;4H,1-3H3.
What are the key properties of N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine?
N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine has a molecular weight of 327.56 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine is sourced from PubChem (CID 144855148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).